Reflectometry Changes

Algorithms

New

• Added algorithm CreateFloodWorkspace v1 which makes a workspace for subsequent flood corrections.

• Added algorithm ApplyFloodWorkspace v1 which applies flood corrections to a workspace.

• FindReflectometryLines has been rewritten and updated to version 2. The new version finds a single line by a Gaussian fit. Version 1 has been deprecated and will be removed in a future release.

• Added algorithm ReflectometrySliceEventWorkspace v1 which slices an input event workspace into multiple slices, producing a histogram workspace suitable for use with ReflectometryReductionOneAuto v3.

• SaveReflectometryAscii v1 is a general algorithm which saves the first spectrum of a workspace in Ascii format particularly suited for reflectometry data.

• Some computations from ReflectometryMomentumTransfer v1 were extracted to a new algorithm, ReflectometryBeamStatistics v1.

• GroupToXResolution v1 can be used to group the reflectivity data (as point data) to the \(Q_z\) resolution.

• Added algorithm ReflectometryBackgroundSubtraction v1 which calculates the background of a given workspace and removes it.

• Added algorithm ReflectometryISISLoadAndProcess v1 which performs full preparation and processing for a single run or combined set of runs in an ISIS reflectometry reduction.

Improvements

• The ILL reduction workflow algorithms were reorganized to allow correct reflectivity calculation in the SumInLambda case.

• Added flood corrections to ReflectometryReductionOneAuto. The correction data can be provided either via a flood workspace passed as a property or taken from the parameter file.

• The four Ascii save algorithms SaveANSTOAscii, SaveILLCosmosAscii, SaveReflCustomAscii, and SaveReflThreeColumnAscii now correctly save x-error and can treat correctly point data and histograms. They are, however, deprecated in favour of SaveReflectometryAscii v1. Please see SaveReflectometryAscii v1 for more documentation.

• ReflectometryReductionOneAuto v3 now supports the Wildes method for polarization corrections as well as Fredrikze when configured in the parameters file.

• ReflectometryReductionOneAuto v3 now crops the unbinned output workspace in Q to MomentumTransferMin and MomentumTransferMax, if specified

• ReflectometryReductionOne v2, ReflectometryReductionOneAuto v3, CreateTransmissionWorkspace v2, and CreateTransmissionWorkspaceAuto v2 now use spectrum numbers for their processing instructions instead of workspace indices.

• ReflectometryReductionOne v2 and ReflectometryReductionOneAuto v3 now take a parameter to pass processing instructions to the transmission workspace algorithms and no longer accept strict spectrum checking.

• Common naming of slit component name and size properties across algorithms.

• SpecularReflectionPositionCorrect v2 is now compatible with the reflectometers at ILL.

• CreateTransmissionWorkspace v2 and CreateTransmissionWorkspaceAuto v2 now use NormalizeByIntegratedMontitors instead of using MonitorIntegrationWavelengthMin and MonitorIntegrationWavelengthMax being defined, to determine how to normalize.

• ILL reflectometry algorithms name changes: LinePosition replaces BeamCentre, DirectLineWorkspace replaces DirectBeamWorkspace, and TwoTheta is the preferred input property which replaces BraggAngle.

• ReflectometryILLPreprocess v1 does not accept and will not output an OutputBeamPositionWorkspace. The peak position and two theta scattering anlge are now present in the SampleLog information as documented.

• ILL’s D17 and Figaro instrument definition files are modified to let the detector ID’s begin with index 0 instead of 1.

• LoadILLReflectometry v1 lets spectrum numbers start with 0 instead of 1.

Bug fixes

• Fixed the error propagation in \(Q\) grouping in ReflectometryILLConvertToQ.

• Handling of group workspaces containing single workspaces when scaling by period and using ScaleFactorFromPeriod, i.e. UseManualScaleFactors is true, ManualScaleFactors remains empty.

• A bug has been fixed on the Settings tab where the IncludePartialBins check box had been hidden by a misplaced text entry box.

• ReflectometryReductionOneAuto v3 No longer sums all of a transmission run’s workspaces and instead will use the first run only

• In ReflectometryReductionOneAuto v3 an issue where if you gave only one of either MomentumTransferMax or MomentumTransferMin were specified it would be ignored, this has been fixed.

• Reverted property names for polarization correction coefficients in ReflectometryReductionOneAuto for backwards compatibility.

• Fixed the BeamCenter property of ReflectometrySumInQ to actually be a fractional workspace index.

Liquids Reflectometer

• Default x-direction pixel range for the scaling factor calculation is now set to the full width of the detector as opposed to a restricted guess.

Magnetism Reflectometer

• Added option to overwrite DIRPIX and DANGLE0.

• Added option to skip the final rebinning.

ISIS Reflectometry Interface

This is the last release of Mantid which will include the old reflectometry interface. It will be removed in version 4.1.

New

• Flood correction options have been added to the interface.

Improvements

• The interface now supports the Wildes method for polarization corrections as well as Fredrikze when configured in the parameters file.

Bug fixes

• The SaveASCII tab from the interface was unable to save in some places on Windows and that has now been fixed.

Release 4.0.0